4-chloro-1-methyl-1,2-dihydroquinolin-2-one

• ChemBase ID: 83521
• Molecular Formular: C10H8ClNO
• Molecular Mass: 193.62962
• Monoisotopic Mass: 193.02944156
• SMILES: n1(c(=O)cc(c2ccccc12)Cl)C
• Canonical SMILES: Clc1cc(=O)n(c2c1cccc2)C
• InChI: InChI=1S/C10H8ClNO/c1-12-9-5-3-2-4-7(9)8(11)6-10(12)13/h2-6H,1H3
• InChIKey: DCBIIUKJSLGVIH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-1-methyl-1,2-dihydroquinolin-2-one
• IUPAC Traditional name: 4-chloro-1-methylquinolin-2-one
• Synonyms: 4-chloro-1-methyl-1,2-dihydroquinolin-2-one

Database IDs

• MDL Number: MFCD00101322
• PubChem SID: 162070638
• PubChem CID: 236926

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.6152714
• LogD (pH = 7.4): 1.6152716
• Log P: 1.6152716
• Molar Refractivity: 53.1113 cm^3
• Polarizability: 19.820929 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true